General Information of the Compound
| Compound ID |
CP0391760
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| Compound Name |
2-[4-[2-[[2-chloro-4-(trifluoromethoxy)phenyl]sulfonylamino]-4-(cyclobutylcarbamoyl)phenoxy]-2,5-difluorophenyl]acetic acid
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| Structure |
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| Formula |
C26H20ClF5N2O7S
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| Molecular Weight |
634.963
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| Canonical SMILES |
OC(=O)Cc1cc(F)c(Oc2ccc(cc2NS(=O)(=O)c2ccc(OC(F)(F)F)cc2Cl)C(=O)NC2CCC2)cc1F
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| InChI |
InChI=1S/C26H20ClF5N2O7S/c27-17-11-16(41-26(30,31)32)5-7-23(17)42(38,39)34-20-9-13(25(37)33-15-2-1-3-15)4-6-21(20)40-22-12-18(28)14(8-19(22)29)10-24(35)36/h4-9,11-12,15,34H,1-3,10H2,(H,33,37)(H,35,36)
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| InChIKey |
VUCPPLVKXKRPGE-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01054, Prostaglandin D2 receptor
Protein ID: PT01171, Prostaglandin D2 receptor 2